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Basic Information
CAS No.: 80980-09-2
Name: 3-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Molecular Structure:
Molecular Structure of 80980-09-2 (3-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE)
Formula: C13H10 N4
Molecular Weight: 222.24500
Synonyms: Pyridine,3-(5-phenyl-1H-1,2,4-triazol-3-yl)- (9CI)
Density: 1.248g/cm3
Boiling Point: 472.7oC at 760 mmHg
Flash Point: 226.2oC
PSA: 54.46000
LogP: 2.53370
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Chemistry

Molecular Structure of 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS NO.80980-09-2):

IUPAC Name: 3-(5-Phenyl-1H-1,2,4-triazol-3-yl)pyridine 
Molecular Formula: C13H10N4
Molecular Weight: 222.24 
Mol File: 80980-09-2.mol 
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3 
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 222.090546
MonoIsotopic Mass: 222.090546
Topological Polar Surface Area: 54.5
Heavy Atom Count: 17
Complexity: 240
Index of Refraction: 1.64
Molar Refractivity: 64.14 cm3
Molar Volume: 177.9 cm3
Surface Tension: 60.3 dyne/cm
Density: 1.248 g/cm3
Flash Point: 226.2 °C
Enthalpy of Vaporization: 73.56 kJ/mol
Boiling Point: 472.7 °C at 760 mmHg
Vapour Pressure: 4.2E-09 mmHg at 25 °C
Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NN2)C3=CN=CC=C3
InChI: InChI=1S/C13H10N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-9H,(H,15,16,17)
InChIKey: LYJGTNPLWZSTJL-UHFFFAOYSA-N

Specification

 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS NO.80980-09-2), its Synonyms are Pyridine,3-(3-phenyl-1H-1,2,4-triazol-5-yl)- ; Pyridine,3-(5-phenyl-1H-1,2,4-triazol-3-yl)- (9CI) ; 3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine .